KEGG   COMPOUND: C20290
Entry
C20290                      Compound                               
Name
N-Acetoxy-IQ
Formula
C13H12N4O2
Exact mass
256.096
Mol weight
256.26
Structure
Pathway
map05204  Chemical carcinogenesis - DNA adducts
Network
nt06250  DNA adduct formation (cancer)
Other DBs
CAS: 115722-78-6
PubChem: 163312030
ChEBI: 133918
LinkDB
KCF data

ATOM        19
            1   C8y C    17.3232  -16.8967
            2   C8y C    17.3232  -18.2935
            3   C8x C    18.5328  -18.9919
            4   C8x C    19.7425  -18.2935
            5   C8y C    19.7425  -16.8967
            6   C8y C    18.5328  -16.1983
            7   C8x C    16.1136  -16.1983
            8   C8x C    14.9039  -16.8967
            9   C8x C    14.9039  -18.2935
            10  N5x N    16.1136  -18.9919
            11  N4y N    20.7805  -15.9621
            12  C8y C    20.2124  -14.6860
            13  N5x N    18.8232  -14.8320
            14  N1b N    20.9147  -13.4699
            15  C1a C    22.1852  -16.2601
            16  O7a O    22.3224  -13.4703
            17  C7a C    23.0379  -12.2322
            18  C1a C    24.4299  -12.2328
            19  O6a O    22.3441  -11.0295
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 1
            14   12  13 2
            15    6  13 1
            16   12  14 1
            17   11  15 1
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   17  19 2

» Japanese version

DBGET integrated database retrieval system